N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-4-methoxy-benzamide

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-4-methoxy-benzamide Openeye Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-4-methoxy-benzamide CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-4-methoxybenzamide IUPAC Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-4-methoxybenzamide Traditional Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-4-methoxy-benzamide Formula: C21H19N5O2 MolecularWeight: 373.40786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NN=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H19N5O2/c1-28-19-10-8-17(9-11-19)21(27)24-23-14-18-15-26(13-5-12-22)25-20(18)16-6-3-2-4-7-16/h2-4,6-11,14-15H,5,13H2,1H3,(H,24,27)/b23-14-